3-amino-4-cyclopropyl-5-[methyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide

C15H18N4OS — CID 103509018

IUPAC3-amino-4-cyclopropyl-5-[methyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide
SMILESCN(Cc1ccccn1)c1sc(C(N)=O)c(N)c1C1CC1
InChIInChI=1S/C15H18N4OS/c1-19(8-10-4-2-3-7-18-10)15-11(9-5-6-9)12(16)13(21-15)14(17)20/h2-4,7,9H,5-6,8,16H2,1H3,(H2,17,20)
InChIKeyLLBGFGMOIHLVAY-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.34
Rot. Bonds5

About 3-amino-4-cyclopropyl-5-[methyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide

3-amino-4-cyclopropyl-5-[methyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide (PubChem CID 103509018) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-5-[methyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-5-[methyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide
PubChem CID103509018
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name3-amino-4-cyclopropyl-5-[methyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide
SMILESCN(Cc1ccccn1)c1sc(C(N)=O)c(N)c1C1CC1
InChIInChI=1S/C15H18N4OS/c1-19(8-10-4-2-3-7-18-10)15-11(9-5-6-9)12(16)13(21-15)14(17)20/h2-4,7,9H,5-6,8,16H2,1H3,(H2,17,20)
InChIKeyLLBGFGMOIHLVAY-UHFFFAOYSA-N
XLogP2.34
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103509011
3-amino-4-cyano-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide
CID 103505469
3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide
CID 103422409
1-[3-amino-5-[methyl(pyridin-2-ylmethyl)amino]thiophen-2-yl]propan-1-one
CID 103509028
1-[3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]thiophen-2-yl]-2-methylpropan-1-one
CID 103420898
2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 55112267
4-[methyl(pyridin-2-ylmethyl)amino]pyridine-2-carboxamide
CID 171327108
3-amino-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-b]pyridin-7-ium-2-carboxamide
CID 146895038
1-[3-amino-5-[butyl(methyl)amino]-4-cyclopropylthiophen-2-yl]ethanone
CID 103420397
[3-amino-4-cyclopropyl-5-[methyl(propyl)amino]thiophen-2-yl]-cyclopropylmethanone
CID 103421298
ethyl 3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-1,2-thiazole-4-carboxylate
CID 103379481
4-amino-2-[ethyl(methyl)amino]-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116670237

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-5-[methyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyclopropyl-5-[methyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide (CID 103509018) is 3-amino-4-cyclopropyl-5-[methyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyclopropyl-5-[methyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyclopropyl-5-[methyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide is CN(Cc1ccccn1)c1sc(C(N)=O)c(N)c1C1CC1.
What is the InChIKey of 3-amino-4-cyclopropyl-5-[methyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide?
The InChIKey is LLBGFGMOIHLVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-19(8-10-4-2-3-7-18-10)15-11(9-5-6-9)12(16)13(21-15)14(17)20/h2-4,7,9H,5-6,8,16H2,1H3,(H2,17,20).
What are the key properties of 3-amino-4-cyclopropyl-5-[methyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide?
3-amino-4-cyclopropyl-5-[methyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclopropyl-5-[methyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 103509018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).